ChemSpider 2D Image | 1-(4-{[2-({[4-(3-Methylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-1-piperazinyl)ethanone | C24H24N6O2S3

1-(4-{[2-({[4-(3-Methylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-1-piperazinyl)ethanone

  • Molecular FormulaC24H24N6O2S3
  • Average mass524.681 Da
  • Monoisotopic mass524.112305 Da
  • ChemSpider ID3879331

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-{[2-({[4-(3-Methylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{[2-({[4-(3-Methylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-(4-{[2-({[4-(3-Méthylphényl)-5-(2-thiényl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-1,3-thiazol-4-yl]carbonyl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[[2-[[[4-(3-methylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]carbonyl]-1-piperazinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 788.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.4±35.7 °C
Index of Refraction: 1.750
Molar Refractivity: 146.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.59
ACD/KOC (pH 5.5): 776.76
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.59
ACD/KOC (pH 7.4): 776.77
Polar Surface Area: 166 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 358.8±7.0 cm3

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